4-fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine - ≥97% , CAS No.944401-71-2

CAS: 944401-71-2 Cat. No.: F635264 Molecular Weight: 238.07 EC Number: 866-244-2 PubChem CID: 59251805

GRADE & PURITY ≥97%

Synonyms

4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-Pyridinamine | 2-Amino-4-fluoro pyridine-5-boronic acid pinacol ester | MFCD12923415 | BS-42991 | A1-18752 | DTXSID901151499 | 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yla

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-fluoro-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-2-Pyridinamine | 2-Amino-4-fluoro pyridine-5-boronic acid pinacol ester | MFCD12923415 | BS-42991 | A1-18752 | DTXSID901151499 | 4-fluoro-5-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)pyridin-2-yla

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)N
• IUPAC Name: 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• InChIKey: VRAOZHCCDMWQFX-UHFFFAOYSA-N
• INCHI: 1S/C11H16BFN2O2/c1-10(2)11(3,4)17-12(16-10)7-6-15-9(14)5-8(7)13/h5-6H,1-4H3,(H2,14,15)
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2F)N
• Alternate CAS: 944401-71-2
• PubChem CID: 59251805
• Molecular Weight: 238.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Imidolactams Aryl fluorides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Primary amines Organooxygen compounds Organometalloid compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Aryl fluoride - Aryl halide - Imidolactam - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 238.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 238.129 Da
• Monoisotopic Mass: 238.129 Da
• Topological Polar Surface Area: 57.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 285.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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